Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 112, Issue 40, Pages 9801-9806Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp800781p
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The structure of pyridinium 2,4-dinitrobenzoate was studied by neutron diffraction at 300, 270, 240, 210, 180, 150, 120, 90, 60, and 30 K. With temperature change, the O center dot center dot center dot H bond length changes from 1.403(10) angstrom at 300 K to 1.424(4) angstrom at 30 K. The proton shifts in the hydrogen bridge toward the acceptor nitrogen atom. Temperature-dependent changes in the strong OHN hydrogen bond were analyzed by using both the neutron structure and the atom-in-molecule approach. The results are compared with those for other strong OHN hydrogen bonds.
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